Geometry & MOs

Info

ID:	243792
PubChem CID:	99239626
Reduced:	ClSN2O4C26H27 (1)
Stoich.:	ABC2D4E26F27 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)COCC4CC4

DOS

IR

Vibrations